N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(propan-2-yl)-2-(pyrrolidin-1-yl)benzamide

• ChemBase ID: 670214
• Molecular Formular: C19H26N4O2
• Molecular Mass: 342.43534
• Monoisotopic Mass: 342.20557609
• SMILES: C(=O)(c1c(N2CCCC2)cccc1)N(Cc1nnc(o1)CC)C(C)C
• Canonical SMILES: CCc1nnc(o1)CN(C(=O)c1ccccc1N1CCCC1)C(C)C
• InChI: InChI=1S/C19H26N4O2/c1-4-17-20-21-18(25-17)13-23(14(2)3)19(24)15-9-5-6-10-16(15)22-11-7-8-12-22/h5-6,9-10,14H,4,7-8,11-13H2,1-3H3
• InChIKey: OCYCQIFJTDSILW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(propan-2-yl)-2-(pyrrolidin-1-yl)benzamide
• IUPAC Traditional name: N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-isopropyl-2-(pyrrolidin-1-yl)benzamide
• Synonyms: N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-isopropyl-2-pyrrolidin-1-ylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1606753
• LogD (pH = 7.4): 2.1611366
• Log P: 2.1611423
• Molar Refractivity: 99.9996 cm^3
• Polarizability: 36.619663 Å^3
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.84
• LOG S: -3.27
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 6